Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: DA426N)
& Ligand (ChEMBL ID: CHEMBL1994244)

GUID

https://w3id.org/psnpbind/variant/185/ligand/CHEMBL1994244

PDB ID

2pog

Variant Type

DA426N

Ligand ID (ChEMBL ID)

CHEMBL1994244

Ligand Similarity* to the one in the experimentally obtained structure of the 2pog complex


* Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel
0.644444

Binding Affinity

  • Conformer 1: 6.6 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -0.6 Kcal/Mol